[tutorials][ML] Add Higgs classification dataloader tutorial

Expand on the df106 tutorial by building a network to classify Higgs data.

Author: Jonah Ascoli

tutorials/CMakeLists.txt

@@ -76,6 +76,7 @@ if(MSVC AND NOT win_broken_tests)
   list(APPEND dataframe_veto machine_learning/ml_dataloader_TensorFlow.py)
   list(APPEND dataframe_veto machine_learning/ml_dataloader_PyTorch.py)
   list(APPEND dataframe_veto machine_learning/ml_dataloader_filters_vectors.py)
+  list(APPEND dataframe_veto machine_learning/ml_dataloader_Higgs_Classification.py)
   # df036* and df037* seem to trigger OS errors when trying to delete the
   # test files created in the tutorials. It is unclear why.
   list(APPEND dataframe_veto analysis/dataframe/df036_missingBranches.C)
@@ -128,6 +129,7 @@ if (NOT dataframe)
     list(APPEND dataframe_veto machine_learning/ml_dataloader_TensorFlow.py)
     list(APPEND dataframe_veto machine_learning/ml_dataloader_PyTorch.py)
     list(APPEND dataframe_veto machine_learning/ml_dataloader_filters_vectors.py)
+    list(APPEND dataframe_veto machine_learning/ml_dataloader_Higgs_Classification.py)
     # RooFit tutorials depending on RDataFrame
     list(APPEND dataframe_veto
         roofit/roofit/rf408_RDataFrameToRooFit.C
@@ -937,6 +939,7 @@ if(pyroot)
   file(GLOB requires_torch   RELATIVE ${CMAKE_CURRENT_SOURCE_DIR}
       machine_learning/pytorch/*.py
       machine_learning/ml_dataloader_PyTorch.py
+      machine_learning/ml_dataloader_Higgs_Classification.py
   )
   file(GLOB requires_xgboost RELATIVE ${CMAKE_CURRENT_SOURCE_DIR}
       machine_learning/tmva101_Training.py

tutorials/machine_learning/data/ml_dataloader_Higgs_Classification_test.root

@@ -137,4 +137,5 @@
 | ml_dataloader_NumPy.py | Loading batches of events from a ROOT dataset as Python generators of numpy arrays. |
 | ml_dataloader_PyTorch.py | Loading batches of events from a ROOT dataset into a basic PyTorch workflow. |
 | ml_dataloader_TensorFlow.py | Loading batches of events from a ROOT dataset into a basic TensorFlow workflow. |
+| ml_dataloader_Higgs_Classification | Loading batches of events from different files for a data-normalization workflow. |
 

tutorials/machine_learning/data/ml_dataloader_Higgs_Classification_train.root

@@ -0,0 +1,249 @@
+## \file
+## \ingroup tutorial_dataframe
+## \notebook -draw
+## The Higgs to four lepton analysis from the ATLAS Open Data release of 2020, with RDataFrame.
+##
+## This tutorial is a continuation of the HiggsToFourLeptons tutorial.
+## We will build a model to classify the data as Higgs or not Higgs.
+##
+##
+## \macro_image
+## \macro_code
+## \macro_output
+##
+## \date June 2026
+## \authors Jonah Ascoli (CERN), Martin Foll (CERN), Silia Taider (CERN)
+
+import matplotlib.pyplot as plt
+import ROOT
+import sklearn.metrics as skl
+import torch
+from torch import nn
+
+print("Loading dataframes...")
+data_dir = ROOT.gROOT.GetTutorialDir().Data() + "/machine_learning/data/"
+df_train = ROOT.RDataFrame("tree", data_dir + "ml_dataloader_Higgs_Classification_train.root")
+df_val = ROOT.RDataFrame("tree", data_dir + "ml_dataloader_Higgs_Classification_val.root")
+df_test = ROOT.RDataFrame("tree", data_dir + "ml_dataloader_Higgs_Classification_test.root")
+
+
+# Classifier model with adjustable hidden layers
+class Classifier(nn.Module):
+    def __init__(
+        self,
+        num_features: int,
+        hidden_layers: list[int],
+        p: float = 0.2,
+        use_dropout: bool = False,
+        use_batchnorm: bool = True,
+    ):
+        super().__init__()
+
+        layers = []
+        in_dim = num_features
+
+        for out_dim in hidden_layers:
+            block = [nn.Linear(in_dim, out_dim)]
+
+            if use_batchnorm:
+                block.append(nn.BatchNorm1d(out_dim))
+
+            block.append(nn.ReLU())
+
+            if use_dropout:
+                block.append(nn.Dropout(p))
+
+            layers.append(nn.Sequential(*block))
+            in_dim = out_dim
+
+        self.hidden = nn.Sequential(*layers)
+        self.output_layer = nn.Linear(in_dim, 1)
+
+    def forward(self, x):
+        x = self.hidden(x)
+        x = self.output_layer(x)
+        return torch.sigmoid(x)
+
+
+batch_size = 1000
+batches_in_memory = 1000
+drop_remainder = True
+columns = ["m4l", "good_lep", "goodlep_E", "goodlep_eta", "goodlep_phi", "goodlep_pt", "goodlep_type", "isHiggsRef"]
+target = "isHiggsRef"
+max_vec_sizes = {"good_lep": 4, "goodlep_E": 4, "goodlep_eta": 4, "goodlep_phi": 4, "goodlep_pt": 4, "goodlep_type": 4}
+shuffle = True
+set_seed = 42
+
+# Normalize the data!
+print("Normalizing data...")
+for var in columns[:-1]:
+    if var == "m4l":  # The only non-vector column
+        mean = df_train.Mean(var).GetValue()
+        stddev = df_train.StdDev(var).GetValue()
+        df_train = df_train.Redefine(var, f"({var} - {mean}) / {stddev}")
+        # The validation and testing data should be normalized based on the
+        # mean and standard deviation calculated from the training data.
+        df_val = df_val.Redefine(var, f"({var} - {mean}) / {stddev}")
+        df_test = df_test.Redefine(var, f"({var} - {mean}) / {stddev}")
+    else:
+        # Each vector event has 4 columns, and we need to take a column-wise mean and stddev
+        means = []
+        stddevs = []
+        for i in range(max_vec_sizes[var]):
+            scalar_column = f"{var}_{i}"
+            df_train = df_train.Define(scalar_column, f"{var}[{i}]")
+            means.append(df_train.Mean(scalar_column).GetValue())
+            stddevs.append(df_train.StdDev(scalar_column).GetValue())
+        mean_vec = ROOT.RVec("double")(means)
+        stddev_vec = ROOT.RVec("double")(stddevs)
+        for i in range(len(stddevs)):
+            if stddevs[i] == 0:
+                stddevs[i] = 0.01  # Avoids division by 0
+        expr = ", ".join(f"(({var}[{i}] - {means[i]}) / {stddevs[i]})" for i in range(max_vec_sizes[var]))
+        df_train = df_train.Redefine(var, f"ROOT::RVec<double>{{{expr}}}")
+        # The validation and testing data should be normalized based on the
+        # mean and standard deviation calculated from the training data.
+        df_val = df_val.Redefine(var, f"ROOT::RVec<double>{{{expr}}}")
+        df_test = df_test.Redefine(var, f"ROOT::RVec<double>{{{expr}}}")
+
+print("Creating dataloaders...")
+train = ROOT.Experimental.ML.RDataLoader(
+    df_train,
+    batch_size=batch_size,
+    batches_in_memory=batches_in_memory,
+    drop_remainder=drop_remainder,
+    columns=columns,
+    target=target,
+    max_vec_sizes=max_vec_sizes,
+    shuffle=shuffle,
+    set_seed=set_seed,
+)
+val = ROOT.Experimental.ML.RDataLoader(
+    df_val,
+    batch_size=batch_size,
+    batches_in_memory=batches_in_memory,
+    drop_remainder=drop_remainder,
+    columns=columns,
+    target=target,
+    max_vec_sizes=max_vec_sizes,
+    shuffle=shuffle,
+    set_seed=set_seed,
+)
+test = ROOT.Experimental.ML.RDataLoader(
+    df_test,
+    batch_size=batch_size,
+    batches_in_memory=batches_in_memory,
+    drop_remainder=drop_remainder,
+    columns=columns,
+    target=target,
+    max_vec_sizes=max_vec_sizes,
+    shuffle=shuffle,
+    set_seed=set_seed,
+)
+
+
+num_features = sum(max_vec_sizes.values()) + len([0 for i in train.train_columns if i not in max_vec_sizes])
+# Must be calculated manually since columns is not yet expanded
+
+torch.manual_seed(set_seed)
+hidden_layers = [60, 60]
+model = Classifier(num_features=num_features, hidden_layers=hidden_layers, p=0.2, use_dropout=False)
+loss_fn = nn.BCELoss()
+optimizer = torch.optim.SGD(model.parameters(), lr=0.01, momentum=0.9)
+
+
+def print_epoch_summary(epoch: int, val_loss: float, val_accuracy: float):
+    print(f"Epoch {epoch} summary ==> Validation loss: {val_loss:.2f}; Validation accuracy: {val_accuracy:.2f}")
+
+
+epochs = 1000
+last_val_losses = [float("inf")] * 6
+# Early stopping criterion: most recent 3 avg. losses are worse than the 3 before that
+avg_val_losses = []
+print("Starting training...")
+for epoch in range(epochs):
+    # training
+    model.train()
+
+    for i, (x_train, y_train) in enumerate(train.as_torch()):
+        outputs = model(x_train)
+        loss = loss_fn(outputs, y_train)
+
+        optimizer.zero_grad()
+        loss.backward()
+        optimizer.step()
+
+    # validation
+    model.eval()
+    val_loss = 0
+    val_correct = 0
+    val_total = 0
+
+    with torch.no_grad():
+        for j, (x_val, y_val) in enumerate(val.as_torch()):
+            outputs = model(x_val)
+            loss = loss_fn(outputs, y_val)
+            val_loss += loss.item()
+
+            preds = (outputs > 0.5).float()
+            val_correct += (preds == y_val).sum().item()
+            val_total += y_val.size(0)
+
+    avg_val_loss = val_loss / (j + 1)
+    avg_val_losses.append(avg_val_loss)
+    val_accuracy = val_correct / val_total
+
+    if epoch % 10 == 9:
+        print_epoch_summary(epoch + 1, val_loss, val_accuracy)
+    del last_val_losses[0]
+    last_val_losses.append(avg_val_loss)
+    # Early stopping check
+    if min(last_val_losses[-3:]) > max(last_val_losses[:3]):
+        print(f"Validation loss has not improved for 6 epochs, stopping training after {epoch + 1} epochs.")
+        epochs = epoch + 1
+        break
+
+# Testing
+model.eval()
+test_loss = 0
+test_correct = 0
+test_total = 0
+
+test_preds = []
+test_true = []
+with torch.no_grad():
+    for j, (x_test, y_test) in enumerate(test.as_torch()):
+        outputs = model(x_test)
+        loss = loss_fn(outputs, y_test)
+        test_loss += loss.item()
+        test_preds += outputs
+        test_true += y_test
+
+        preds = (outputs > 0.5).float()
+        test_correct += (preds == y_test).sum().item()
+        test_total += y_test.size(0)
+
+avg_test_loss = test_loss / (j + 1)
+test_accuracy = test_correct / test_total
+
+print(f"Testing Loss: {avg_test_loss:.4f}  Accuracy: {test_accuracy:.4f}\n")
+
+# Analysis
+fig = plt.figure()
+ax = plt.axes()
+ax.plot([i for i in range(epochs)], avg_val_losses)
+plt.title("Loss curve")
+plt.xlabel("Epoch")
+plt.ylabel("Validation loss")
+plt.savefig("loss_curve")
+print("Loss curve saved to loss_curve.png")
+
+fpr, tpr, thresholds = skl.roc_curve(test_true, test_preds)
+fig = plt.figure()
+ax = plt.axes()
+ax.plot(fpr[:-1], tpr[:-1])
+plt.title("ROC curve")
+plt.xlabel("False positive rate")
+plt.ylabel("True positive rate")
+plt.savefig("ROC_curve")
+print("ROC curve saved to ROC_curve.png")